N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C14H21N7O2 — CID 154567909

IUPACN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCOCCCn1cnnc1CNC(=O)C1CCc2ncnn2C1
InChIInChI=1S/C14H21N7O2/c1-23-6-2-5-20-10-17-19-13(20)7-15-14(22)11-3-4-12-16-9-18-21(12)8-11/h9-11H,2-8H2,1H3,(H,15,22)
InChIKeyBDZYPBUYLGHWKV-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.22
Rot. Bonds7

About N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 154567909) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID154567909
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCOCCCn1cnnc1CNC(=O)C1CCc2ncnn2C1
InChIInChI=1S/C14H21N7O2/c1-23-6-2-5-20-10-17-19-13(20)7-15-14(22)11-3-4-12-16-9-18-21(12)8-11/h9-11H,2-8H2,1H3,(H,15,22)
InChIKeyBDZYPBUYLGHWKV-UHFFFAOYSA-N
XLogP-0.22
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)-N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 72867922
N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide acetate
CID 155499282
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301
1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 46994579
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 52394833
(3S)-1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 52394835
3-(4-methyl-1,2,4-triazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 53506344
3-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 53524135
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 53524136
[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 54873325
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 61004336
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61165126

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 154567909) is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is COCCCn1cnnc1CNC(=O)C1CCc2ncnn2C1.
What is the InChIKey of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is BDZYPBUYLGHWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-23-6-2-5-20-10-17-19-13(20)7-15-14(22)11-3-4-12-16-9-18-21(12)8-11/h9-11H,2-8H2,1H3,(H,15,22).
What are the key properties of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 154567909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).